2-[[(E)-hex-1-enyl]sulfanylmethyl]furan

C11H16OS — CID 15212982

IUPAC2-[[(E)-hex-1-enyl]sulfanylmethyl]furan
SMILESCCCC/C=C/SCc1ccco1
InChIInChI=1S/C11H16OS/c1-2-3-4-5-9-13-10-11-7-6-8-12-11/h5-9H,2-4,10H2,1H3/b9-5+
InChIKeyVXOMKAAAEFDRQG-WEVVVXLNSA-N
MW196.31 g/mol
LogP4.22
Rot. Bonds6

About 2-[[(E)-hex-1-enyl]sulfanylmethyl]furan

2-[[(E)-hex-1-enyl]sulfanylmethyl]furan (PubChem CID 15212982) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is 2-[[(E)-hex-1-enyl]sulfanylmethyl]furan.

Molecular Properties

Compound Name2-[[(E)-hex-1-enyl]sulfanylmethyl]furan
PubChem CID15212982
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name2-[[(E)-hex-1-enyl]sulfanylmethyl]furan
SMILESCCCC/C=C/SCc1ccco1
InChIInChI=1S/C11H16OS/c1-2-3-4-5-9-13-10-11-7-6-8-12-11/h5-9H,2-4,10H2,1H3/b9-5+
InChIKeyVXOMKAAAEFDRQG-WEVVVXLNSA-N
XLogP4.22
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(6Z,9Z)-heptadeca-6,9-dienyl]furan
CID 67684448
2-[(E)-hex-2-enyl]furan
CID 13275150
2-[[(Z)-2-(4-methylphenyl)sulfonylethenyl]sulfanylmethyl]furan
CID 10851342
2-tridec-1-enylfuran
CID 76580057
(Z)-1-(furan-2-yl)oct-3-en-1-one
CID 15606164
2-(1-ethoxybutylsulfanylmethyl)furan
CID 141009482
N'-(furan-2-ylmethyl)dodec-1-ene-1-sulfonohydrazide
CID 57320654
2-(furan-2-ylmethyl)-5-[(E)-heptadec-1-enyl]-1,3,4-oxadiazole
CID 69114351
2-(hexan-2-yloxymethyl)furan
CID 141468564
2-(1-deuteriopropyl)furan
CID 141109691
2-non-4-ynylfuran
CID 102274443
2-[[(E)-but-1-enyl]sulfanylmethyl]-5-methylfuran
CID 146324432

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-hex-1-enyl]sulfanylmethyl]furan?
The IUPAC name of 2-[[(E)-hex-1-enyl]sulfanylmethyl]furan (CID 15212982) is 2-[[(E)-hex-1-enyl]sulfanylmethyl]furan.
What is the SMILES notation for 2-[[(E)-hex-1-enyl]sulfanylmethyl]furan?
The canonical SMILES for 2-[[(E)-hex-1-enyl]sulfanylmethyl]furan is CCCC/C=C/SCc1ccco1.
What is the InChIKey of 2-[[(E)-hex-1-enyl]sulfanylmethyl]furan?
The InChIKey is VXOMKAAAEFDRQG-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H16OS/c1-2-3-4-5-9-13-10-11-7-6-8-12-11/h5-9H,2-4,10H2,1H3/b9-5+.
What are the key properties of 2-[[(E)-hex-1-enyl]sulfanylmethyl]furan?
2-[[(E)-hex-1-enyl]sulfanylmethyl]furan has a molecular weight of 196.31 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-hex-1-enyl]sulfanylmethyl]furan is sourced from PubChem (CID 15212982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).